Interface EnsembleHashGenerator


public interface EnsembleHashGenerator
A hash function which generates a single 64-bit hash code for a set of molecules (ensemble).
Author:
John May
Source code:
main
Belongs to CDK module:
interfaces
  • Method Summary

    Modifier and Type
    Method
    Description
    long
    Generate invariant 64-bit hash code for an ensemble of molecules.
  • Method Details

    • generate

      long generate(Set<IAtomContainer> ensemble)
      Generate invariant 64-bit hash code for an ensemble of molecules.
      Parameters:
      ensemble - an ensemble molecule
      Returns:
      hash code for the ensemble